NO - it does not matter. Exercise: explain why. Take care - SB On Feb 23, 2013, at 8:55 PM, Ben Palmer <benpalmer1983 at gmail.com> wrote:
> Hi everyone, > > I just wanted to ask if users have any techniques for choosing ecut and > k-points? I've read that one way would be to start with a high number > of k-points and high energy cutoff, and use that energy as an almost > true value. Then adjust k-points and energy cutoff from a lower > number/cutoff until it converges to the true value. Would you try to > converge energy cutoff first, or k-points? Does it matter which you > converge first? > > Thanks > > Ben Palmer > Student @ University of Birmingham > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum --- Stefano Baroni - http://stefano.baroni.me, stefanobaroni (skype) on leave of absence from SISSA, Trieste, presently at the Department of Materials, EPF Lausanne (until March 2013) I believe in the despotism of human life and happiness against the liberty of money and possessions [John Steinbeck] -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130303/8c240714/attachment.html